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p-(3-Phenethyl-2-thioureido)hippuric acid, hexyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

p-(3-Phenethyl-2-thioureido)hippuric acid, hexyl ester
SpectraBase Compound ID ESRQiQExGMx
InChI InChI=1S/C24H31N3O3S/c1-2-3-4-8-17-30-22(28)18-26-23(29)20-11-13-21(14-12-20)27-24(31)25-16-15-19-9-6-5-7-10-19/h5-7,9-14H,2-4,8,15-18H2,1H3,(H,26,29)(H2,25,27,31)
InChIKey QKQMJAXHOHXWFY-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C24H31N3O3S
Exact Mass 441.208613 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7riU4FfMXB0
Name p-(3-PHENETHYL-2-THIOUREIDO)HIPPURIC ACID, HEXYL ESTER
Source of Sample C. Drugarin & A. Boldea, University of Timisoara, Timisoara, Romania
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O3S
InChI InChI=1S/C24H31N3O3S/c1-2-3-4-8-17-30-22(28)18-26-23(29)20-11-13-21(14-12-20)27-24(31)25-16-15-19-9-6-5-7-10-19/h5-7,9-14H,2-4,8,15-18H2,1H3,(H,26,29)(H2,25,27,31)
InChIKey QKQMJAXHOHXWFY-UHFFFAOYSA-N
Melting Point 109-110C
Molecular Weight 441.589996
Synonyms HIPPURIC ACID, P-/3-PHENETHYL- 2-THIOUREIDO/-, HEXYL ESTER
Technique KBr WAFER